SCHEMBL6796979

SCHEMBL6796979

c1csc(C2CCc3ccccc3[N]2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.46
NOS2 P35228 3/20 0.46
BCHE P06276 3/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 2/20 0.33
NOS1 P29475 1/20 0.33
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11471109 0.71 SLC6A2 (0.56) NOS3NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL8551454 0.67
SCHEMBL1515117 0.67 NOS3 (0.41) NOS3NOS2MAPTCYP19A1NOS1
SCHEMBL8630301 0.66 NOS3 (0.39) NOS3NOS2TSHRMAPTCYP19A1
SCHEMBL5542044 0.66 NOS3 (0.39) NOS3NOS2TSHRMAPTSMN1; SMN2
SCHEMBL10388003 0.66 NOS3 (0.39) NOS3NOS2TSHRMAPTCYP19A1
SCHEMBL8935522 0.66 CYP2D6 (0.40) NOS3NOS2BCHEMAPTKDM4E
SCHEMBL4370064 0.66 NPC1 (0.40) NOS2MAPTSMN1; SMN2KDM4E
SCHEMBL14012390 0.65 ALDH1A1 (0.42) NOS3NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL7610196 0.65 SLC6A2 (0.36) NOS3NOS2SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US claimed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US claimed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US claimed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C NOS3 1251/4885NOS2 473/4885BCHE 1854/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 NOS3 1378/4885NOS2 708/4885BCHE 2504/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 NOS3 476/4885NOS2 150/4885BCHE 1878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.